============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TRP 14 1.040 42.640 67.830 25.914 -99.200 -91.000 TRP6 14 1.020 40.718 68.335 24.635 -99.200 -91.000 PHE 19 1.000 59.666 61.835 26.584 -99.200 -91.000 TRP 37 1.040 50.632 80.654 29.857 -99.200 -91.000 TRP6 37 1.020 51.890 80.915 31.845 -99.200 -91.000 HIS 43 0.900 52.286 63.692 41.369 -99.200 -91.000 TYR 47 0.840 56.557 63.263 46.995 -99.200 -91.000 TRP 49 1.040 58.674 59.237 46.037 -99.200 -91.000 TRP6 49 1.020 56.875 59.029 44.519 -99.200 -91.000 PHE 53 1.000 62.577 65.814 37.094 -99.200 -91.000 HIS 65 0.900 47.369 57.611 18.608 -99.200 -91.000 TYR 70 0.840 60.279 63.728 15.700 -99.200 -91.000 TYR 84 0.840 55.212 80.992 36.299 -99.200 -91.000 HIS 86 0.900 48.785 77.300 45.200 -99.200 -91.000 TYR 89 0.840 53.363 70.087 45.681 -99.200 -91.000 TRP 91 1.040 57.011 69.598 49.541 -99.200 -91.000 TRP6 91 1.020 58.517 68.447 50.945 -99.200 -91.000 TYR 113 0.840 46.911 65.092 13.726 -99.200 -91.000 HIS 115 0.900 41.432 73.544 19.417 -99.200 -91.000 HIS 129 0.900 25.896 67.766 40.065 -99.200 -91.000 PHE 132 1.000 26.252 64.193 36.277 -99.200 -91.000 TRP 139 1.040 51.246 58.023 25.089 -99.200 -91.000 TRP6 139 1.020 50.923 60.365 24.994 -99.200 -91.000 PHE 177 1.000 37.939 65.981 40.698 -99.200 -91.000 TYR 181 0.840 33.597 52.126 36.381 -99.200 -91.000 PHE 200 1.000 37.755 63.077 35.806 -99.200 -91.000 TYR 206 0.840 24.398 72.468 30.385 -99.200 -91.000 TRP 210 1.040 35.594 66.941 24.602 -99.200 -91.000 TRP6 210 1.020 35.300 64.948 25.838 -99.200 -91.000 TYR 211 0.840 33.785 73.746 29.564 -99.200 -91.000 TRP 218 1.040 46.712 62.150 46.569 -99.200 -91.000 TRP6 218 1.020 45.638 60.461 47.824 -99.200 -91.000 TYR 228 0.840 36.632 54.707 45.391 -99.200 -91.000 PHE 230 1.000 41.591 60.734 46.764 -99.200 -91.000 TYR 231 0.840 41.433 61.782 38.709 -99.200 -91.000 HIS 233 0.900 37.167 71.186 42.331 -99.200 -91.000 PHE 235 1.000 34.850 76.927 39.462 -99.200 -91.000 TRP 240 1.040 48.656 79.580 41.690 -99.200 -91.000 TRP6 240 1.020 49.371 77.915 40.171 -99.200 -91.000